N-(2-methylsulfonyl-4-pyridinyl)quinoline-3-carboxamide

C16H13N3O3S — CID 175916603

IUPACN-(2-methylsulfonyl-4-pyridinyl)quinoline-3-carboxamide
SMILESCS(=O)(=O)c1cc(NC(=O)c2cnc3ccccc3c2)ccn1
InChIInChI=1S/C16H13N3O3S/c1-23(21,22)15-9-13(6-7-17-15)19-16(20)12-8-11-4-2-3-5-14(11)18-10-12/h2-10H,1H3,(H,17,19,20)
InChIKeyKRUORONZDDMKKN-UHFFFAOYSA-N
MW327.37 g/mol
LogP2.29
Rot. Bonds3

About N-(2-methylsulfonyl-4-pyridinyl)quinoline-3-carboxamide

N-(2-methylsulfonyl-4-pyridinyl)quinoline-3-carboxamide (PubChem CID 175916603) has the molecular formula C16H13N3O3S and a molecular weight of 327.37 g/mol. Its IUPAC name is N-(2-methylsulfonyl-4-pyridinyl)quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfonyl-4-pyridinyl)quinoline-3-carboxamide
PubChem CID175916603
Molecular FormulaC16H13N3O3S
Molecular Weight327.37 g/mol
Exact Mass327.07
IUPAC NameN-(2-methylsulfonyl-4-pyridinyl)quinoline-3-carboxamide
SMILESCS(=O)(=O)c1cc(NC(=O)c2cnc3ccccc3c2)ccn1
InChIInChI=1S/C16H13N3O3S/c1-23(21,22)15-9-13(6-7-17-15)19-16(20)12-8-11-4-2-3-5-14(11)18-10-12/h2-10H,1H3,(H,17,19,20)
InChIKeyKRUORONZDDMKKN-UHFFFAOYSA-N
XLogP2.29
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(quinoline-3-carbonylamino)phenyl]quinoline-3-carboxamide
CID 171577203
N-(3-acetylphenyl)quinoline-3-carboxamide
CID 110694820
N-(4-hydroxyphenyl)quinoline-3-carboxamide
CID 110489513
N-quinoxalin-2-ylquinoline-3-carboxamide
CID 11522282
N-(2-iodophenyl)quinoline-3-carboxamide
CID 139568501
4-methyl-N-quinolin-3-ylbenzamide
CID 974969
N-(2-sulfamoyl-4-pyridinyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 175733101
6-(methylamino)-N-quinolin-3-ylpyridine-3-carboxamide
CID 62808644
N-pyridin-4-ylquinoline-6-carboxamide
CID 53313330
3-hydroxy-2-(quinoline-3-carbonylamino)propanoic acid
CID 110489479
6-chloro-N-quinolin-3-ylpyridine-3-carboxamide
CID 29330391
N-quinolin-6-ylbenzamide
CID 833617

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonyl-4-pyridinyl)quinoline-3-carboxamide?
The IUPAC name of N-(2-methylsulfonyl-4-pyridinyl)quinoline-3-carboxamide (CID 175916603) is N-(2-methylsulfonyl-4-pyridinyl)quinoline-3-carboxamide.
What is the SMILES notation for N-(2-methylsulfonyl-4-pyridinyl)quinoline-3-carboxamide?
The canonical SMILES for N-(2-methylsulfonyl-4-pyridinyl)quinoline-3-carboxamide is CS(=O)(=O)c1cc(NC(=O)c2cnc3ccccc3c2)ccn1.
What is the InChIKey of N-(2-methylsulfonyl-4-pyridinyl)quinoline-3-carboxamide?
The InChIKey is KRUORONZDDMKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3S/c1-23(21,22)15-9-13(6-7-17-15)19-16(20)12-8-11-4-2-3-5-14(11)18-10-12/h2-10H,1H3,(H,17,19,20).
What are the key properties of N-(2-methylsulfonyl-4-pyridinyl)quinoline-3-carboxamide?
N-(2-methylsulfonyl-4-pyridinyl)quinoline-3-carboxamide has a molecular weight of 327.37 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonyl-4-pyridinyl)quinoline-3-carboxamide is sourced from PubChem (CID 175916603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).